SCHEMBL4535360

SCHEMBL4535360

N#Cc1c(C(=O)S)nc2c(c1-c1ccccc1)CCC2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.64
ALDH1A1 P00352 11/20 0.64
ADORA2A P29274 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
HSD17B10 Q99714 7/20 0.61
FNTA P49354 1/20 0.56
FNTB P49356 1/20 0.56
HPGD P15428 7/20 0.53
MAPT P10636 2/20 0.49
ALOX15 P16050 1/20 0.49
ALOX12 P18054 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MDM2 Q00987 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4535362 0.81 KDM4E (0.71) KDM4EALDH1A1ADORA2ASMN1; SMN2HSD17B10
SCHEMBL16295335 0.79 KDM4E (0.71) KDM4EALDH1A1ADORA2ASMN1; SMN2HSD17B10
SCHEMBL1177057 0.79 KDM4E (1.00) KDM4EALDH1A1ADORA2ASMN1; SMN2HSD17B10
SCHEMBL1177499 0.79 KDM4E (0.75) KDM4EALDH1A1ADORA2ASMN1; SMN2HSD17B10
SCHEMBL1177695 0.77 KDM4E (0.69) KDM4EALDH1A1ADORA2ASMN1; SMN2HSD17B10
SCHEMBL17351540 0.76 KDM4E (0.71) KDM4EALDH1A1ADORA2ASMN1; SMN2HSD17B10
SCHEMBL6252358 0.76 KDM4E (1.00) KDM4EALDH1A1ADORA2ASMN1; SMN2HSD17B10
SCHEMBL17351373 0.75 KDM4E (0.97) KDM4EALDH1A1ADORA2ASMN1; SMN2HSD17B10
SCHEMBL16295295 0.72 RXFP1 (0.69) KDM4EALDH1A1ADORA2ASMN1; SMN2HSD17B10
SCHEMBL17351544 0.72 KDM4E (0.64) KDM4EALDH1A1ADORA2ASMN1; SMN2HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2556856-A1 6-Cyano-substituted Pyrido[2,3-d]pyrimidines as Adenosin Rezeptor Ligands for the Treatment of Cardiovascular Diseases Bayer Intellectual Property GmbH (DE) 2013-02-13 EP disclosed
EP-2556831-A1 3,4-Dihydro-4-oxo-5-aryl-pyrido[2,3-d]pyrimidine-6-carbonitriles as Adenosin Receptor Ligands for Treatment of Cardiovascular Diseases Bayer Intellectual Property GmbH (DE) 2013-02-13 EP disclosed
EP-2234980-A1 FUSED CYNOPRYRIDINES AND THE USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2010-10-06 EP disclosed
WO-2009080198-A1 FUSED CYNOPRYRIDINES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-02 WO disclosed